5-[(2S,3aR,7aS)-2-phenyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]pent-1-en-3-one

Systemtic Name: 5-[(2S,3aR,7aS)-2-phenyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]pent-1-en-3-one Openeye Name: 5-[(2S,3aR,7aS)-2-phenyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]pent-1-en-3-one CAS Name: 5-[(2S,3aR,7aS)-2-phenyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]-1-penten-3-one IUPAC Name: 5-[(2S,3aR,7aS)-2-phenyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]pent-1-en-3-one Traditional Name: 5-[(2S,3aR,7aS)-2-phenyl-3a,7a-dihydro-1,3-benzodioxol-4-yl]pent-1-en-3-one Formula: C18H18O3 MolecularWeight: 282.33372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)CCC1=CC=CC2C1OC(O2)C3=CC=CC=C3

Isomeric SMILES

C=CC(=O)CCC1=CC=C[C@H]2[C@@H]1O[C@H](O2)C3=CC=CC=C3

InChI

InChI=1S/C18H18O3/c1-2-15(19)12-11-13-9-6-10-16-17(13)21-18(20-16)14-7-4-3-5-8-14/h2-10,16-18H,1,11-12H2/t16-,17+,18-/m0/s1